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Compound Detail

CHEMBL295888

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COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN3CCC(N5CCCCC5)CC3)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O

Basic Information

ChEMBL ID CHEMBL295888
Phase Preclinical
Structure Type MOL
InChI Key OVENJMWSDFPGOZ-QQMGARRCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

578.7
MW (Da)
4.50
ALogP
9
HBA
1
HBD
89.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H42N2O7
MW 578.71
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness 0.53

Data from ChEMBL 36 via Core Engine